2,3,5-trimethyl-4-(2-piperazin-1-ylethyl)phenol

C15H24N2O — CID 82266205

IUPAC2,3,5-trimethyl-4-(2-piperazin-1-ylethyl)phenol
SMILESCc1cc(O)c(C)c(C)c1CCN1CCNCC1
InChIInChI=1S/C15H24N2O/c1-11-10-15(18)13(3)12(2)14(11)4-7-17-8-5-16-6-9-17/h10,16,18H,4-9H2,1-3H3
InChIKeyUCQXKAMVLHAUOT-UHFFFAOYSA-N
MW248.37 g/mol
LogP1.77
Rot. Bonds3

About 2,3,5-trimethyl-4-(2-piperazin-1-ylethyl)phenol

2,3,5-trimethyl-4-(2-piperazin-1-ylethyl)phenol (PubChem CID 82266205) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 2,3,5-trimethyl-4-(2-piperazin-1-ylethyl)phenol.

Molecular Properties

Compound Name2,3,5-trimethyl-4-(2-piperazin-1-ylethyl)phenol
PubChem CID82266205
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name2,3,5-trimethyl-4-(2-piperazin-1-ylethyl)phenol
SMILESCc1cc(O)c(C)c(C)c1CCN1CCNCC1
InChIInChI=1S/C15H24N2O/c1-11-10-15(18)13(3)12(2)14(11)4-7-17-8-5-16-6-9-17/h10,16,18H,4-9H2,1-3H3
InChIKeyUCQXKAMVLHAUOT-UHFFFAOYSA-N
XLogP1.77
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-3,5-dimethyl-2-(2-piperazin-1-ylethyl)phenol
CID 82265416
1-[2-(2,4,6-trimethylphenyl)ethyl]piperazine
CID 15391878
6-bromo-3,4-dimethyl-2-(2-piperazin-1-ylethyl)phenol
CID 117498633
4-chloro-3-methyl-2-(2-piperazin-1-ylethyl)phenol
CID 117390237
4-methoxy-5-methyl-2-(2-piperazin-1-ylethyl)phenol
CID 117379682
1-[2-(2,4-dimethoxy-3,6-dimethylphenyl)ethyl]piperazine
CID 117446675
1-[2-(2-methoxy-4,6-dimethylphenyl)ethyl]piperazine
CID 82480406
2,3-dimethyl-6-(2-piperazin-1-ylethyl)phenol
CID 83896218
1-[2-(2,6-difluoro-3-methylphenyl)ethyl]piperazine
CID 117353486
1-[2-(2,3,5-trimethylphenyl)ethyl]piperazine
CID 117337037
1-[2-(2-methoxy-4,6-dimethylphenyl)ethyl]-1,4-diazepane
CID 82485738
1-[2-(3-chloro-6-ethoxy-2,4-dimethylphenyl)ethyl]piperazine
CID 82265314

Frequently Asked Questions

What is the IUPAC name of 2,3,5-trimethyl-4-(2-piperazin-1-ylethyl)phenol?
The IUPAC name of 2,3,5-trimethyl-4-(2-piperazin-1-ylethyl)phenol (CID 82266205) is 2,3,5-trimethyl-4-(2-piperazin-1-ylethyl)phenol.
What is the SMILES notation for 2,3,5-trimethyl-4-(2-piperazin-1-ylethyl)phenol?
The canonical SMILES for 2,3,5-trimethyl-4-(2-piperazin-1-ylethyl)phenol is Cc1cc(O)c(C)c(C)c1CCN1CCNCC1.
What is the InChIKey of 2,3,5-trimethyl-4-(2-piperazin-1-ylethyl)phenol?
The InChIKey is UCQXKAMVLHAUOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-11-10-15(18)13(3)12(2)14(11)4-7-17-8-5-16-6-9-17/h10,16,18H,4-9H2,1-3H3.
What are the key properties of 2,3,5-trimethyl-4-(2-piperazin-1-ylethyl)phenol?
2,3,5-trimethyl-4-(2-piperazin-1-ylethyl)phenol has a molecular weight of 248.37 g/mol, XLogP of 1.77, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5-trimethyl-4-(2-piperazin-1-ylethyl)phenol is sourced from PubChem (CID 82266205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).